Butane

Butane

SCHEMBL6359950

CCCC.Cc1cccc(CNc2nc(C(C(=O)O)C(=O)O)nc3scc(-c4ccc(F)cc4)c23)n1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
TNF P01375 1/20 0.37
MAPK1 P28482 1/20 0.37
NOD1 Q9Y239 1/20 0.37
LMNA P02545 3/20 0.36
TGM2 P21980 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FGFR1 P11362 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2369286 0.90 PRKCZ (0.37) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2369294 0.89 TGM2 (0.36) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2368960 0.86 ESR1 (0.39) ESR1TNFMAPK1NOD1LMNA
SCHEMBL3415878 0.83 ESR1 (0.44) ESR1TNFMAPK1NOD1LMNA
SCHEMBL3415890 0.82 ESR1 (0.40) ESR1TNFMAPK1NOD1LMNA
SCHEMBL3384963 0.80 ESR1 (0.57) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2369471 0.80 ALDH1A1 (0.47) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2368714 0.79 ESR1 (0.40) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2368702 0.79 LMNA (0.40) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2368753 0.79 ESR1 (0.48) ESR1TNFMAPK1NOD1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 ESR1 4494/4885TNF 2689/4885MAPK1 667/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.